Interaction potential of H2O molecules and water layer adsorbed on surface of aerogel nanopores

Rinat T. Nasibullin; Yury N. Ponomarev; Victor N. Cherepanov

doi:10.1117/12.2503791

13 December 2018 Interaction potential of H₂O molecules and water layer adsorbed on surface of aerogel nanopores

Rinat T. Nasibullin, Yury N. Ponomarev, Victor N. Cherepanov

Proceedings Volume 10833, 24th International Symposium on Atmospheric and Ocean Optics: Atmospheric Physics; 1083304 (2018) https://doi.org/10.1117/12.2503791
Event: XXIV International Symposium, Atmospheric and Ocean Optics, Atmospheric Physics, 2018, Tomsk, Russian Federation

Abstract

Modeling of the water layer on the surface of airgel nanopores has been carried out. The interaction potentials between incident water molecule and water molecule adsorbed on the nanopore surface were calculated by the use B3LYP/6-31 + G (d) method. An analytical form of the isotropic potential was obtained.

Citation Download Citation

Rinat T. Nasibullin, Yury N. Ponomarev, and Victor N. Cherepanov "Interaction potential of H₂O molecules and water layer adsorbed on surface of aerogel nanopores", Proc. SPIE 10833, 24th International Symposium on Atmospheric and Ocean Optics: Atmospheric Physics, 1083304 (13 December 2018); https://doi.org/10.1117/12.2503791

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